1,4-ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole

C107H195N21O4 — CID 159137052

About 1,4-ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole

1,4-ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole (PubChem CID 159137052) has the molecular formula C107H195N21O4 and a molecular weight of 1839.88 g/mol. Its IUPAC name is 1,4-ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole.

Molecular Properties

• Compound Name: 1,4-ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole
• PubChem CID: 159137052
• Molecular Formula: C107H195N21O4
• Molecular Weight: 1839.88 g/mol
• Exact Mass: 1838.57
• IUPAC Name: 1,4-ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole
• SMILES: C=C1N(C)C(C(C)(C)C)=CN1C(C)(C)C.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1cnn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1noc(C(C)(C)C)n1
• InChI: InChI=1S/C13H24N2.3C11H20N2.C11H19NO.2C10H19N3.3C10H18N2O/c1-10-14(8)11(12(2,3)4)9-15(10)13(5,6)7;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;1-9(2,3)8-7-11-13(12-8)10(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6/h9H,1H2,2-8H3;3*7-8H,1-6H3;3*7H,1-6H3;3*1-6H3
• InChIKey: KHPXCESSMLDPCX-UHFFFAOYSA-N
• XLogP: 28.12
• TPSA: 264.15 Ų
• H-Bond Acceptors: 25
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1839.88
LogP ≤ 5	28.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole?

The IUPAC name of 1,4-ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole (CID 159137052) is 1,4-ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole.

What is the SMILES notation for 1,4-ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole?

The canonical SMILES for 1,4-ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole is C=C1N(C)C(C(C)(C)C)=CN1C(C)(C)C.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1cnn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1noc(C(C)(C)C)n1.

What is the InChIKey of 1,4-ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole?

The InChIKey is KHPXCESSMLDPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2.3C11H20N2.C11H19NO.2C10H19N3.3C10H18N2O/c1-10-14(8)11(12(2,3)4)9-15(10)13(5,6)7;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;1-9(2,3)8-7-11-13(12-8)10(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6/h9H,1H2,2-8H3;3*7-8H,1-6H3;3*7H,1-6H3;3*1-6H3.

What are the key properties of 1,4-ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole?

1,4-ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole has a molecular weight of 1839.88 g/mol, XLogP of 28.12, 0 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-ditert-butylimidazole;1,4-ditert-butyl-3-methyl-2-methylideneimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole is sourced from PubChem (CID 159137052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).